UCSF

ZINC43976028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 4.23 -36.27 2 4 1 38 273.441 10
Hi High (pH 8-9.5) 2.19 3.09 -1.43 1 4 0 34 272.433 10
Mid Mid (pH 6-8) 2.19 6.62 -28.07 2 4 1 35 273.441 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )